CAS RN: 1404457-08-4
CyclopentanepropanaMide, α-aMino-N-cyclopropyl-, hydrochloride (1:1), (αS)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1404457-08-4
- Purity/Analytical Methods: >99.0%
1404457-08-4 / (2S)-2-amino-3-cyclopentyl-N-cyclopropylpropanamide;hydrochloride
Basic Information
CAS
1404457-08-4
Multi CAS
No
Molecular Formula
C11H21ClN2O
Molecular Weight
232.750000
Exact Mass
232.134241
SMILES
C1CCC(C1)C[C@@H](C(=O)NC2CC2)N.Cl
InChI
InChI=1S/C11H20N2O.ClH/c12-10(7-8-3-1-2-4-8)11(14)13-9-5-6-9;/h8-10H,1-7,12H2,(H,13,14);1H/t10-;/m0./s1
InChIKey
SNFQEDIEMIWJNK-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.96
TPSA
55.12
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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